| Identification | Back Directory | [Name]
4-ACETYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER | [CAS]
206989-61-9 | [Synonyms]
1-Boc-4-acetyL
Zanubrutinib Impurity 6
N-Boc-4-Acetypiperidine
N-Boc-4-acetylpiperidine
1-BOC-4-ACETYL-PIPERIDINE
1-N-Boc-4-Acetylpiperidine
1-BOC-ESTER4-ACETYL-PIPERIDINE
Zanubrutinib Related Compound 4
4-acetyl-1-(t-butoxycarbonyl)piperidine
1-tert-Butoxycarbonyl-4-acetylpiperidine
tert-Butyl 4-acetylpiperidine-1-carboxylate
tert-butyl 4-ethanoylpiperidine-1-carboxylate
4-acetyl-1-piperidinecarboxylic acid tert-butyl ester
4-ACETYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-acetyl-piperidine-1-carboxylic acid Mono t-butyl ester
1-Piperidinecarboxylic acid, 4-acetyl-, 1,1-dimethylethyl ester | [Molecular Formula]
C12H21NO3 | [MDL Number]
MFCD08437655 | [MOL File]
206989-61-9.mol | [Molecular Weight]
227.3 |
| Chemical Properties | Back Directory | [Boiling point ]
312.4±35.0 °C(Predicted) | [density ]
1.052±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
solid | [pka]
-2.23±0.40(Predicted) | [InChI]
InChI=1S/C12H21NO3/c1-9(14)10-5-7-13(8-6-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3 | [InChIKey]
HNVBBNZWMSTMAZ-UHFFFAOYSA-N | [SMILES]
N1(C(OC(C)(C)C)=O)CCC(C(C)=O)CC1 |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS06 | [Signal word ]
Danger | [Hazard statements ]
H301 | [Precautionary statements ]
P301+P310 | [Hazard Codes ]
T | [Risk Statements ]
25 | [Safety Statements ]
45 | [RIDADR ]
UN 2811 6.1 / PGIII | [HazardClass ]
IRRITANT | [HS Code ]
2933399990 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral |
| Hazard Information | Back Directory | [Uses]
tert-Butyl 4-Acetylpiperidine-1-carboxylate is a useful research chemical. | [Synthesis]
Tert-butyl-4-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate (2.29 g, 8.32 mmol) was dissolved in 30 ml of tetrahydrofuran (THF), and the resulting solution was cooled to -78 °C. To the solution, methylmagnesium bromide (3.0 M) (7.73 ml, 10.82 mmol) was slowly added, and the solution was stirred at 0 °C for 1 hr. After the reaction was completed with a 2 N hydrochloric acid aqueous solution, 6 N sodium hydroxide solution was added to adjust the pH to 10. Then the solution was extracted with dichloromethane. The organic layer was treated with magnesium sulfate (MgSO4) and filtered, and the solution was concentrated. The resulting residue was isolated and purified by silica gel column chromatography (dichloromethane/methanol = 10/1) to give 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester (6.36 g, 94.0 percent).
| [References]
[1] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 4, p. 935 - 939
[2] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 5, p. 1299 - 1305
[3] Patent: EP3255042, 2017, A2. Location in patent: Paragraph 0209; 0212
[4] Patent: WO2008/17461, 2008, A1. Location in patent: Page/Page column 62
[5] Patent: WO2008/42925, 2008, A1. Location in patent: Page/Page column 96 |
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J & K SCIENTIFIC LTD.
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Energy Chemical
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Tetranov Biopharm
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Shanghai Ennopharm Co., Ltd.
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